N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide

C5H8N6O3 — CID 1240616

IUPACN-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide
SMILESCN(N)C(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C5H8N6O3/c1-9(6)4(12)2-10-3-7-5(8-10)11(13)14/h3H,2,6H2,1H3
InChIKeyXJAHCURVRFYKME-UHFFFAOYSA-N
MW200.16 g/mol
LogP-1.48
Rot. Bonds3

About N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide

N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide (PubChem CID 1240616) has the molecular formula C5H8N6O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide.

Molecular Properties

Compound NameN-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide
PubChem CID1240616
Molecular FormulaC5H8N6O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC NameN-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide
SMILESCN(N)C(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C5H8N6O3/c1-9(6)4(12)2-10-3-7-5(8-10)11(13)14/h3H,2,6H2,1H3
InChIKeyXJAHCURVRFYKME-UHFFFAOYSA-N
XLogP-1.48
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
The IUPAC name of N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide (CID 1240616) is N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide.
What is the SMILES notation for N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
The canonical SMILES for N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide is CN(N)C(=O)Cn1cnc([N+](=O)[O-])n1.
What is the InChIKey of N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
The InChIKey is XJAHCURVRFYKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O3/c1-9(6)4(12)2-10-3-7-5(8-10)11(13)14/h3H,2,6H2,1H3.
What are the key properties of N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide?
N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide has a molecular weight of 200.16 g/mol, XLogP of -1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide is sourced from PubChem (CID 1240616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).